4-[4-(phenylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-(benzenesulfonyl)-4-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine Traditional Name: 4-(4-benzylpiperazino)-3-besyl-1H-pyrrolo[2,3-b]pyridine Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=CNC4=NC=C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=CNC4=NC=C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4O2S/c29-31(30,20-9-5-2-6-10-20)22-17-26-24-23(22)21(11-12-25-24)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,25,26)